4-[2-[4,5-bis[2-[4,5-bis[2-(3,5-ditert-butylphenyl)ethynyl]-2-methoxy-phenyl]ethynyl]-2-methoxy-phenyl]ethynyl]-2,6-dipyridin-2-yl-pyridine

Systemtic Name: 4-[2-[4,5-bis[2-[4,5-bis[2-(3,5-ditert-butylphenyl)ethynyl]-2-methoxy-phenyl]ethynyl]-2-methoxy-phenyl]ethynyl]-2,6-dipyridin-2-yl-pyridine Openeye Name: 4-[2-[4,5-bis[2-[4,5-bis[2-(3,5-ditert-butylphenyl)ethynyl]-2-methoxy-phenyl]ethynyl]-2-methoxy-phenyl]ethynyl]-2,6-bis(2-pyridyl)pyridine CAS Name: 4-[2-[4,5-bis[2-[4,5-bis[2-(3,5-ditert-butylphenyl)ethynyl]-2-methoxyphenyl]ethynyl]-2-methoxyphenyl]ethynyl]-2,6-bis(2-pyridinyl)pyridine IUPAC Name: 4-[2-[4,5-bis[2-[4,5-bis[2-(3,5-ditert-butylphenyl)ethynyl]-2-methoxyphenyl]ethynyl]-2-methoxyphenyl]ethynyl]-2,6-dipyridin-2-ylpyridine Traditional Name: 4-[2-[4,5-bis[2-[4,5-bis[2-(3,5-ditert-butylphenyl)ethynyl]-2-methoxy-phenyl]ethynyl]-2-methoxy-phenyl]ethynyl]-2,6-bis(2-pyridyl)pyridine Formula: C106H109N3O3 MolecularWeight: 1473.01796

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)C#CC2=CC(=C(C=C2C#CC3=CC(=CC(=C3)C(C)(C)C)C(C)(C)C)OC)C#CC4=CC(=C(C=C4C#CC5=C(C=C(C(=C5)C#CC6=CC(=CC(=C6)C(C)(C)C)C(C)(C)C)C#CC7=CC(=CC(=C7)C(C)(C)C)C(C)(C)C)OC)OC)C#CC8=CC(=NC(=C8)C9=CC=CC=N9)C1=CC=CC=N1)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)C#CC2=CC(=C(C=C2C#CC3=CC(=CC(=C3)C(C)(C)C)C(C)(C)C)OC)C#CC4=CC(=C(C=C4C#CC5=C(C=C(C(=C5)C#CC6=CC(=CC(=C6)C(C)(C)C)C(C)(C)C)C#CC7=CC(=CC(=C7)C(C)(C)C)C(C)(C)C)OC)OC)C#CC8=CC(=NC(=C8)C9=CC=CC=N9)C1=CC=CC=N1)C(C)(C)C

InChI

InChI=1S/C106H109N3O3/c1-99(2,3)84-50-70(51-85(66-84)100(4,5)6)34-39-75-60-82(97(111-26)63-78(75)41-36-72-54-88(103(13,14)15)68-89(55-72)104(16,17)18)46-44-77-62-81(43-38-74-58-94(92-32-28-30-48-107-92)109-95(59-74)93-33-29-31-49-108-93)96(110-25)65-80(77)45-47-83-61-76(40-35-71-52-86(101(7,8)9)67-87(53-71)102(10,11)12)79(64-98(83)112-27)42-37-73-56-90(105(19,20)21)69-91(57-73)106(22,23)24/h28-33,48-69H,1-27H3